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CS-W001157 4
Total: USD 88.00

2-Ethynyl-4,6-difluoroaniline

  • CAS No. 684250-12-2

  • Cat. No. CS-0589881
  • Molecule weight153.13
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

2-Ethynyl-4,6-difluoroaniline|CS-0589881

Structure of 684250-12-2

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General Information

  • CAS No. 684250-12-2
  • Cat. No. CS-0589881
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₂N
  • Molecular Weight 153.13
  • Synonym(s) Benzenamine, 2-ethynyl-4,6-difluoro- (9CI)
  • SMILES NC1=C(F)C=C(F)C=C1C#C

Synthesis

  • Route1
    • null|null
      1363411-82-8
    • ~%
    • 2-Ethynyl-4,6-difluoroaniline|CS-0589881
      684250-12-2

    References

    • Politanskaya, Larisa V.; Chuikov, Igor P.; Kolodina, Ekaterina A.; Shvartsberg, Mark S.; Shteingarts, Vitalij D. Journal of Fluorine Chemistry, 2012 , vol. 135, p. 97 - 107
  • Route2
    • 2,4-Difluoro-6-((trimethylsilyl)ethynyl)aniline|CS-0580360
      684250-21-3
    • ~67%
    • 2-Ethynyl-4,6-difluoroaniline|CS-0589881
      684250-12-2

    References

    • Arcadi, Antonio; Bianchi, Gabriele; Marinelli, Fabio Synthesis, 2004 , # 4 p. 610 - 618
  • Route3

    References

    • Arcadi, Antonio; Bianchi, Gabriele; Marinelli, Fabio Synthesis, 2004 , # 4 p. 610 - 618

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   1.5283
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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